Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-17.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala A A
A
 A A
G
A
 A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 6.586 ΔGbinding -2.105
TOTAL
 4.481
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.600
Van der Waals -4.100 Backbone clash 0.020
Electrostatics 0.182 Helix dipole 0.000
Solvation Polar 3.962 Water bridges 0.016
Solvation Hyd -6.232 Disulfide 0.000
VdW clashes 1.304 Electrost. Kon 0.070
Entropy sc 0.551 Part.cov.bonds 0.000
Entropy mc

2.817

 ΔGstability

41.278
       

Predicted ligand sequences for model [NBP2_1GCQ-17.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  NBP2_1GCQ-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPIIPGHSK 0.0
2 RPIIYGHSK 0.01
3 RPVIPGHSK 0.04
4 RPIIGGHSK 0.04
5 YPIIPGHSK 0.05
6 RPIMPGHSK 0.05
7 RPVIYGHSK 0.06
8 YPIIYGHSK 0.06
9 RPIRPGHSK 0.07
10 RPIIPGHWK 0.07
11 RPIMYGHSK 0.07
12 RPIRYGHSK 0.08
13 RPIIYGHWK 0.09
14 RPVIGGHSK 0.09
15 RPVMPGHSK 0.1
16 YPIIGGHSK 0.1
17 YPVIPGHSK 0.1
18 RPRIPGHSK 0.1
19 RPIMGGHSK 0.1
20 YPIMPGHSK 0.1
21 YPVIYGHSK 0.11
22 RPVRPGHSK 0.11
23 RPVMYGHSK 0.11
24 RPRIYGHSK 0.11
25 RPIRGGHSK 0.12
26 YPIRPGHSK 0.12
27 RPIIGGHWK 0.12
28 YPIMYGHSK 0.12
29 RPVIPGHWK 0.12
30 YPIIPGHWK 0.13
31 RPVIYGHWK 0.13
32 YPIRYGHSK 0.13
33 RPIMPGHWK 0.13
34 RPVRYGHSK 0.13
35 RPIMYGHWK 0.14
36 YPIIYGHWK 0.14
37 RPVMGGHSK 0.14
38 YPVIGGHSK 0.14
39 RPRIGGHSK 0.14
40 RPRMPGHSK 0.15
41 RPIRPGHWK 0.15
42 YPVMPGHSK 0.15
43 YPRIPGHSK 0.15
44 YPIMGGHSK 0.15
45 YPRIYGHSK 0.16
46 YPVMYGHSK 0.16
47 RPVRGGHSK 0.16
48 RPRMYGHSK 0.16
49 RPVIGGHWK 0.16
50 RPIRYGHWK 0.16
51 RPRIPGHWK 0.17
52 RPIMGGHWK 0.17
53 YPVRPGHSK 0.17
54 YPIIGGHWK 0.17
55 YPVIPGHWK 0.17
56 RPVMPGHWK 0.17
57 YPIRGGHSK 0.17
58 RPRRPGHSK 0.17
59 YPIMPGHWK 0.18
60 RPRIYGHWK 0.18
61 RPVMYGHWK 0.18
62 YPVRYGHSK 0.18
63 RPRRYGHSK 0.18
64 YPVIYGHWK 0.18
65 RPRMGGHSK 0.19
66 RPVRPGHWK 0.19
67 YPIMYGHWK 0.19
68 YPVMGGHSK 0.19
69 YPRIGGHSK 0.19
70 RPIRGGHWK 0.19
71 RPVRYGHWK 0.2
72 YPIRPGHWK 0.2
73 YPRMPGHSK 0.2
74 YPVRGGHSK 0.21
75 YPRMYGHSK 0.21
76 RPRRGGHSK 0.21
77 YPIRYGHWK 0.21
78 YPVIGGHWK 0.22
79 YPVMPGHWK 0.22
80 YPRIPGHWK 0.22
81 RPRMPGHWK 0.22
82 RPVMGGHWK 0.22
83 YPIMGGHWK 0.22
84 RPRIGGHWK 0.22
85 YPRRPGHSK 0.22
86 RIIIPGHSK 0.23
87 RPVRGGHWK 0.23
88 YPRRYGHSK 0.23
89 RPIIPGFSK 0.23
90 YPVMYGHWK 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPVRPGHSK

3.23

-11.83

-8.6
2 RPVMPGHSK

1.98

-9.21

-7.23
3 RPVMYGHSK

3.52

-10.2

-6.68
4 RPIMYGHSK

3.04

-8.92

-5.88
5 RPIIGGHWK

4.09

-9.93

-5.84
6 RPIIYGHWK

3.62

-9.45

-5.83
7 RPIIPGHSK

3.52

-9.07

-5.55
8 RPIMPGHSK

3.65

-9.2

-5.55
9 YPIRPGHSK

2.97

-8.27

-5.3
10 RPVIPGHSK

3.14

-8.41

-5.27
11 RPIRPGHSK

3.11

-8.28

-5.17
12 RPIIPGHWK

4.22

-9.32

-5.1
13 RPRIPGHSK

3.83

-8.88

-5.05
14 RPIMGGHSK

2.89

-7.87

-4.98
15 RPIRYGHSK

3.0

-7.86

-4.86
16 YPIMPGHSK

3.04

-7.86

-4.82
17 YPIMYGHSK

3.14

-7.33

-4.19
18 YPVIPGHSK

3.09

-7.22

-4.13
19 RPIRGGHSK

3.15

-7.2

-4.05
20 RPVIGGHSK

3.13

-7.01

-3.88
21 RPVIPGHWK

4.57

-8.45

-3.88
22 YPIIPGHSK

3.2

-7.07

-3.87
23 YPIIGGHSK

3.17

-6.97

-3.8
24 RPRIYGHSK

3.62

-7.29

-3.67
25 RPIIYGHSK

3.44

-6.86

-3.42
26 RPIIGGHSK

3.5

-6.9

-3.4
27 YPIIPGHWK

3.78

-7.11

-3.33
28 RPVIYGHSK

4.11

-7.1

-2.99
29 YPIIYGHSK

3.86

-6.28

-2.42
30 YPVIYGHSK

3.14

-5.41

-2.27

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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